2-[2-[2-azanyl-6-(4-chlorophenyl)sulfanyl-purin-9-yl]ethyl]propane-1,3-diol

Systemtic Name: 2-[2-[2-azanyl-6-(4-chlorophenyl)sulfanyl-purin-9-yl]ethyl]propane-1,3-diol Openeye Name: 2-[2-[2-amino-6-(4-chlorophenyl)sulfanyl-purin-9-yl]ethyl]propane-1,3-diol CAS Name: 2-[2-[2-amino-6-[(4-chlorophenyl)thio]-9-purinyl]ethyl]propane-1,3-diol IUPAC Name: 2-[2-[2-amino-6-(4-chlorophenyl)sulfanylpurin-9-yl]ethyl]propane-1,3-diol Traditional Name: 2-[2-[2-amino-6-[(4-chlorophenyl)thio]purin-9-yl]ethyl]propane-1,3-diol Formula: C16H18ClN5O2S MolecularWeight: 379.86442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=NC(=NC3=C2N=CN3CCC(CO)CO)N)Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=NC(=NC3=C2N=CN3CCC(CO)CO)N)Cl

InChI

InChI=1S/C16H18ClN5O2S/c17-11-1-3-12(4-2-11)25-15-13-14(20-16(18)21-15)22(9-19-13)6-5-10(7-23)8-24/h1-4,9-10,23-24H,5-8H2,(H2,18,20,21)